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89406-19-9 | Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-2-methoxy-
CAS No: 89406-19-9 Catalog No: AG003VWQ MDL No:
Product Description
Catalog Number:
AG003VWQ
Chemical Name:
Phenol, 4-(2,3-dihydro-4-phenyl-1,5-benzothiazepin-2-yl)-2-methoxy-
CAS Number:
89406-19-9
Molecular Formula:
C22H19NO2S
Molecular Weight:
361.4568
IUPAC Name:
2-methoxy-4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol
InChI:
InChI=1S/C22H19NO2S/c1-25-20-13-16(11-12-19(20)24)22-14-18(15-7-3-2-4-8-15)23-17-9-5-6-10-21(17)26-22/h2-13,22,24H,14H2,1H3
InChI Key:
ZEOXQCIATXSOJY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C1CC(=Nc2c(S1)cccc2)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.459g/mol
Monoisotopic Mass:
361.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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